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ID of heme Axial ligands on heme Function & structure
5ti9-B-402
sad. +0.02
ruf. -0.29
dom. +0.06
bre. -0.29
HIS chainID: B,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 413.0 Å3
d(Fe-oop): 0.137 Å
OXY chainID: B, resSeq: 401,

molecule: OXYGEN MOLECULE

5ti9-C-401
sad. +0.04
ruf. -0.23
dom. +0.01
bre. -0.30
HIS chainID: C,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 421.0 Å3
d(Fe-oop): 0.024 Å
NFK chainID: C, resSeq: 402,

molecule: N'-Formylkynurenine

5ti9-D-401
sad. +0.09
ruf. -0.46
dom. +0.08
bre. -0.20
HIS chainID: D,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 450.0 Å3
d(Fe-oop): 0.146 Å
NFK chainID: D, resSeq: 402,

molecule: N'-Formylkynurenine

5tia-A-401
sad. +0.11
ruf. -0.28
dom. -0.08
bre. -0.27
HIS chainID: A,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 423.0 Å3
d(Fe-oop): 0.157 Å
Not assigned.
5tia-B-401
sad. +0.07
ruf. -0.23
dom. -0.11
bre. -0.23
HIS chainID: B,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 424.0 Å3
d(Fe-oop): 0.179 Å
Not assigned.
5tia-C-401
sad. +0.18
ruf. -0.14
dom. +0.01
bre. -0.32
HIS chainID: C,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 445.0 Å3
d(Fe-oop): 0.199 Å
Not assigned.
5tia-D-401
sad. +0.06
ruf. -0.32
dom. -0.11
bre. -0.23
HIS chainID: D,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 437.0 Å3
d(Fe-oop): 0.196 Å
Not assigned.
5tis-E-101
sad. +1.01
ruf. -0.05
dom. +0.09
bre. -0.08
HIS chainID: E,
resSeq: 23,
molecule: Cytochrome b559 subunit alpha
electron transporter
oligomeric count: 40
pocket vol.: 502.0 Å3
d(Fe-oop): 0.016 Å
HIS chainID: F, resSeq: 24,

molecule: Cytochrome b559 subunit beta

5tis-V-201
sad. +0.39
ruf. -0.58
dom. +0.07
bre. -0.17
HIS chainID: V,
resSeq: 41,
molecule: Cytochrome c-550
electron transporter
oligomeric count: 40
pocket vol.: 466.0 Å3
d(Fe-oop): 0.054 Å
HIS chainID: V, resSeq: 92,

molecule: Cytochrome c-550

5tis-e-101
sad. +1.23
ruf. -0.23
dom. +0.02
bre. -0.11
HIS chainID: e,
resSeq: 23,
molecule: Cytochrome b559 subunit alpha
electron transporter
oligomeric count: 40
pocket vol.: 478.0 Å3
d(Fe-oop): 0.003 Å
HIS chainID: f, resSeq: 24,

molecule: Cytochrome b559 subunit beta

5tis-v-201
sad. +0.37
ruf. -0.62
dom. +0.07
bre. -0.15
HIS chainID: v,
resSeq: 41,
molecule: Cytochrome c-550
electron transporter
oligomeric count: 40
pocket vol.: 458.0 Å3
d(Fe-oop): 0.103 Å
HIS chainID: v, resSeq: 92,

molecule: Cytochrome c-550

5tl8-A-501
sad. -0.11
ruf. -0.36
dom. +0.03
bre. +0.28
CYS chainID: A,
resSeq: 430,
molecule: Protein CYP51
oxidoreductase
oligomeric count: 1
pocket vol.: 438.0 Å3
d(Fe-oop): 0.011 Å
X2N chainID: A, resSeq: 502,

molecule: POSACONAZOLE

5twt-A-301
sad. -0.93
ruf. +0.42
dom. +0.01
bre. -0.01
HIS chainID: A,
resSeq: 167,
molecule: Peroxidase Pvi9
oxidoreductase
oligomeric count: 1
pocket vol.: 413.0 Å3
d(Fe-oop): 0.062 Å
HOH chainID: A, resSeq: 561,

molecule: water

5txq-A-801
sad. -0.84
ruf. +0.07
dom. +0.29
bre. -0.20
TOX chainID: A,
resSeq: 111,
molecule: Catalase-peroxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 401.0 Å3
d(Fe-oop): 0.047 Å
HIS chainID: A, resSeq: 279,

molecule: Catalase-peroxidase

5txq-B-801
sad. -0.88
ruf. +0.05
dom. +0.24
bre. +0.06
TOX chainID: B,
resSeq: 111,
molecule: Catalase-peroxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 399.0 Å3
d(Fe-oop): 0.055 Å
HIS chainID: B, resSeq: 279,

molecule: Catalase-peroxidase

5ty3-A-201
sad. -0.31
ruf. -0.68
dom. +0.03
bre. +0.00
HIS chainID: A,
resSeq: 18,
molecule: Cytochrome c
electron transporter
oligomeric count: 1
pocket vol.: 298.0 Å3
d(Fe-oop): 0.026 Å
MET chainID: A, resSeq: 80,

molecule: Cytochrome c

5ty3-B-201
sad. -0.27
ruf. -0.63
dom. +0.01
bre. -0.02
HIS chainID: B,
resSeq: 18,
molecule: Cytochrome c
electron transporter
oligomeric count: 1
pocket vol.: 289.0 Å3
d(Fe-oop): 0.004 Å
MET chainID: B, resSeq: 80,

molecule: Cytochrome c

5tz1-A-601
sad. +0.04
ruf. -0.28
dom. +0.24
bre. +0.15
CYS chainID: A,
resSeq: 470,
molecule: Sterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 441.0 Å3
d(Fe-oop): 0.044 Å
VT1 chainID: A, resSeq: 602,

molecule: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol

5tz1-B-601
sad. -0.05
ruf. -0.26
dom. +0.25
bre. +0.19
CYS chainID: B,
resSeq: 470,
molecule: Sterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 450.0 Å3
d(Fe-oop): 0.055 Å
VT1 chainID: B, resSeq: 602,

molecule: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol

5u3i-A-201
sad. +0.12
ruf. +0.02
dom. -0.35
bre. +0.05
HIS chainID: A,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 528.0 Å3
d(Fe-oop): 0.025 Å
CMO chainID: A, resSeq: 202,

molecule: CARBON MONOXIDE